Dear I-TASSER Discussion Board,
Error is
5.1 do clustering
No. of trajectory files: 0
I am not sure about the reason behind this error, this might be due to "run simulation job 14 / 14 sh: /usr/bin/bzip2: No such file or directory".
As I am running this on Ubuntu/Debian and bzip2 is at /bin/bzip2. I have changed the line 907 in "copy and unzip trajectories" section of runI-ITASSER.pl from
`/usr/bin/bunzip2 -f $traj{$i}\.bz2`;
to
`/bin/bunzip2 -f $traj{$i}\.bz2`;
and also to
`/bin/bzip2 -f $traj{$i}\.bz2`;
But the error is still same. Also in my datadir I do not have any "tra" files. If possible, please let me know about what can be the possible reasons.
Files in my datadir:
blast.out GGGd_id2 id2sim_3M id2sim_7M in3M.dd in7M.dd init.SSSc node_id2sim_3A node_id2sim_6M out3A out6M pssm.txt
comb8CA.dat GGGf_id2 id2sim_4A id2sim_8M in4A.dd in8M.dd mtx node_id2sim_3M node_id2sim_7M out3M out7M QQQ_id2
combCA.dat id2sim_1A id2sim_4M in1A.dd in4M.dd init.dat NNNd_id2 node_id2sim_4A node_id2sim_8M out4A out8M rmsinp
comb.dat id2sim_1M id2sim_5A in1M.dd in5A.dd init.GGGd node_id2sim_1A node_id2sim_4M out1A out4M pair1.dat seq.dat
dist.dat id2sim_2A id2sim_5M in2A.dd in5M.dd init.GGGf node_id2sim_1M node_id2sim_5A out1M out5A pair3.dat seq.dat.ss
distL.dat id2sim_2M id2sim_6A in2M.dd in6A.dd init.NNNd node_id2sim_2A node_id2sim_5M out2A out5M par.dat seq.fasta
exp.dat id2sim_3A id2sim_6M in3A.dd in6M.dd init.QQQ node_id2sim_2M node_id2sim_6A out2M out6A psitmp.chk seq.txt
SSSc_id2
Here is detailed output:
~ manish@fp166 % /hosts/nas1/shares/maxa/home/manish/I-TASSER/I-TASSERmod/runI-TASSER.pl -libdir /hosts/nas1/shares/maxa/home/manish/I-TASSER -seqname id2 -datadir /hosts/nas1/shares/maxa/home/manish/data/id2 -usrname manish -nmodel 3
Your setting is:
-libdir =/hosts/nas1/shares/maxa/home/manish/I-TASSER
-seqname =id2
-datadir =/hosts/nas1/shares/maxa/home/manish/data/id2
-usrname =manish
-runstyle =serial
-homoflag =real
-idcut =1
-ntemp =20
-nmodel =3
1. make seq.txt and rmsinp
2.1 run Psi-blast
2.2 run psipred
2.3 run solve
2.3 run solve
2.4 run pairmod
2.4.1 removing homology templates based on real and 1
2.4.2 running pair ................
FORTRAN STOP
3.1 do threading
start threading QQQ
hostname: fp166
starting time: Sat Jul 2 19:31:31 PDT 2011
pwd: /tmp/manish/ITid2
running Psi-blast .....
running zalign .....
./zalign 7.01 0.55 0.66 1.6 -0.99 0.31 0.19 0 1.0 0.39 0.19
==>3a4lB2 1t6bX2 5.54944549336833 17.7981195526512
3a4lB2 1t6bX2 31 100
score_flag=2
ending time: Sat Jul 2 21:15:58 PDT 2011
start threading GGGd
hostname: fp166
starting time: Sat Jul 2 21:16:00 PDT 2011
pwd: /tmp/manish/ITid2
running zalign .....
ending time: Sat Jul 2 23:20:11 PDT 2011
start threading GGGf
hostname: fp166
starting time: Sat Jul 2 23:20:13 PDT 2011
pwd: /tmp/manish/ITid2
running zalign .....
ending time: Sun Jul 3 01:24:09 PDT 2011
start threading NNNd
hostname: fp166
starting time: Sun Jul 3 01:24:11 PDT 2011
pwd: /tmp/manish/ITid2
running zalign .....
ending time: Sun Jul 3 02:25:34 PDT 2011
start threading SSSc
hostname: fp166
starting time: Sun Jul 3 02:25:36 PDT 2011
pwd: /tmp/manish/ITid2
running zalign .....
ending time: Sun Jul 3 04:05:24 PDT 2011
3.2 make restraints
4.1 run simulation
run 14 serial simulations
run simulation job 1 / 14
sh: /usr/bin/bzip2: No such file or directory
run simulation job 2 / 14
sh: /usr/bin/bzip2: No such file or directory
run simulation job 3 / 14
sh: /usr/bin/bzip2: No such file or directory
run simulation job 4 / 14
^[[B^[[2~sh: /usr/bin/bzip2: No such file or directory
run simulation job 5 / 14
sh: /usr/bin/bzip2: No such file or directory
run simulation job 6 / 14
sh: /usr/bin/bzip2: No such file or directory
run simulation job 7 / 14
sh: /usr/bin/bzip2: No such file or directory
run simulation job 8 / 14
sh: /usr/bin/bzip2: No such file or directory
run simulation job 9 / 14
sh: /usr/bin/bzip2: No such file or directory
run simulation job 10 / 14
sh: /usr/bin/bzip2: No such file or directory
run simulation job 11 / 14
sh: /usr/bin/bzip2: No such file or directory
run simulation job 12 / 14
sh: /usr/bin/bzip2: No such file or directory
run simulation job 13 / 14
sh: /usr/bin/bzip2: No such file or directory
run simulation job 14 / 14
sh: /usr/bin/bzip2: No such file or directory
5.1 do clustering
No. of trajectory files: 0
Regards
Manish